N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine

C34H72N4 — CID 13108889

IUPACN,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CCN(CC)CCN(CC)C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C34H72N4/c1-10-35-24-26-37(12-3)28-30-38(13-4)29-27-36(11-2)25-23-34(9)22-16-21-33(8)20-15-19-32(7)18-14-17-31(5)6/h23,31-33,35H,10-22,24-30H2,1-9H3/b34-23+/t32-,33-/m1/s1
InChIKeyWKZXFOAGDWSJBA-VYBNSHAUSA-N
MW536.98 g/mol
LogP7.95
Rot. Bonds27

About N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine

N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 13108889) has the molecular formula C34H72N4 and a molecular weight of 536.98 g/mol. Its IUPAC name is N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID13108889
Molecular FormulaC34H72N4
Molecular Weight536.98 g/mol
Exact Mass536.58
IUPAC NameN,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CCN(CC)CCN(CC)C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C34H72N4/c1-10-35-24-26-37(12-3)28-30-38(13-4)29-27-36(11-2)25-23-34(9)22-16-21-33(8)20-15-19-32(7)18-14-17-31(5)6/h23,31-33,35H,10-22,24-30H2,1-9H3/b34-23+/t32-,33-/m1/s1
InChIKeyWKZXFOAGDWSJBA-VYBNSHAUSA-N
XLogP7.95
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.98
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl(3,7,11,15-tetramethylhexadec-2-enyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 54436358
N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 173415704
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
CID 160640482
CID 160640482
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E)-4,8-dimethylnon-3-ene
CID 22743489
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine (CID 13108889) is N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine is CCNCCN(CC)CCN(CC)CCN(CC)C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is WKZXFOAGDWSJBA-VYBNSHAUSA-N. The full InChI is InChI=1S/C34H72N4/c1-10-35-24-26-37(12-3)28-30-38(13-4)29-27-36(11-2)25-23-34(9)22-16-21-33(8)20-15-19-32(7)18-14-17-31(5)6/h23,31-33,35H,10-22,24-30H2,1-9H3/b34-23+/t32-,33-/m1/s1.
What are the key properties of N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 536.98 g/mol, XLogP of 7.95, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[2-[ethyl-[2-[ethyl-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 13108889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).